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3,3-Dimethyl-2-pentanone

3,3-Dimethyl-2-pentanone structure

CAS No:
20669-04-9
Formula:
C7H14O
Chemical Name:
3,3-Dimethyl-2-pentanone
Synonyms:
2-Pentanone,3,3-dimethyl-;3,3-Dimethyl-2-pentanone;tert-Amyl methyl ketone;Methyl tert-pentyl ketone

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3,3-Dimethyl-2-pentanone Basic Attributes

Molecular Weight：

114.18500

Exact Mass：

114.19

DSSTox ID：

DTXSID40174714

HScode：

2914190090

Characteristics

PSA：

17.07000

XLogP3：

2.01160

Density：

0.808g/cm3

Melting Point：

78-79 °C

Boiling Point：

131-132 °C

Flash Point：

22.4ºC

Refractive Index：

1.403

Vapor Pressure：

10.8mmHg at 25°C

Safety Information

GHS Classification：

|Danger|H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:114.19
XLogP3:1.7
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:114.104465066
Monoisotopic Mass:114.104465066
Topological Polar Surface Area:17.1
Heavy Atom Count:8
Complexity:92.6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3,3-Dimethyl-2-pentanone

Basic Attributes
Characteristics
Safety Information
Computed Properties

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